N-(3-ethanoylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-3-26-20-10-5-4-9-19(20)23-11-13-24(14-12-23)21(27)22-18-8-6-7-17(15-18)16(2)25/h4-10,15H,3,11-14H2,1-2H3,(H,22,27)